[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone

C17H28N4O2 — CID 70780034

IUPAC[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)nc(N)n1
InChIInChI=1S/C17H28N4O2/c1-10(2)6-13-7-14(20-16(18)19-13)15(22)21-8-12(5)17(23,9-21)11(3)4/h7,10-12,23H,6,8-9H2,1-5H3,(H2,18,19,20)/t12-,17-/m1/s1
InChIKeyBHVOWVSPZUXCOR-SJKOYZFVSA-N
MW320.44 g/mol
LogP1.74
Rot. Bonds4

About [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone (PubChem CID 70780034) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
PubChem CID70780034
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)nc(N)n1
InChIInChI=1S/C17H28N4O2/c1-10(2)6-13-7-14(20-16(18)19-13)15(22)21-8-12(5)17(23,9-21)11(3)4/h7,10-12,23H,6,8-9H2,1-5H3,(H2,18,19,20)/t12-,17-/m1/s1
InChIKeyBHVOWVSPZUXCOR-SJKOYZFVSA-N
XLogP1.74
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(3-methoxypiperidin-1-yl)methanone
CID 77097381
[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 131914788
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 163310197
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135110690
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methanone
CID 50983669
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone
CID 131912533
1-[1-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 26400088
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135088326
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 131919946
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)methanone
CID 154563924
(1S,2S,4R)-7-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]-N-cyclopropyl-2-ethyl-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 169420554
[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 70780971

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone (CID 70780034) is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone is CC(C)Cc1cc(C(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)nc(N)n1.
What is the InChIKey of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is BHVOWVSPZUXCOR-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-10(2)6-13-7-14(20-16(18)19-13)15(22)21-8-12(5)17(23,9-21)11(3)4/h7,10-12,23H,6,8-9H2,1-5H3,(H2,18,19,20)/t12-,17-/m1/s1.
What are the key properties of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 70780034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).