2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine

C16H26N4 — CID 133417422

IUPAC2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCC(C)CN1CCC[C@@H]1CNc1ccnc(C2CC2)n1
InChIInChI=1S/C16H26N4/c1-12(2)11-20-9-3-4-14(20)10-18-15-7-8-17-16(19-15)13-5-6-13/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,17,18,19)/t14-/m1/s1
InChIKeyVKVWQLJBLUNLLK-CQSZACIVSA-N
MW274.41 g/mol
LogP2.89
Rot. Bonds6

About 2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine

2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 133417422) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID133417422
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCC(C)CN1CCC[C@@H]1CNc1ccnc(C2CC2)n1
InChIInChI=1S/C16H26N4/c1-12(2)11-20-9-3-4-14(20)10-18-15-7-8-17-16(19-15)13-5-6-13/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,17,18,19)/t14-/m1/s1
InChIKeyVKVWQLJBLUNLLK-CQSZACIVSA-N
XLogP2.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417435
6-(3,5-dimethylphenyl)-4-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidine-2,4-diamine
CID 174852415
2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417448
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]cyclopentanamine
CID 103852150
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 83836780
3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine
CID 133417515
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
2,2-dimethyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103838761
4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
CID 95821351
4-(azepan-1-yl)-N-[[1-(2-ethylbutyl)pyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 66903067
2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 42641302

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine (CID 133417422) is 2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine is CC(C)CN1CCC[C@@H]1CNc1ccnc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is VKVWQLJBLUNLLK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4/c1-12(2)11-20-9-3-4-14(20)10-18-15-7-8-17-16(19-15)13-5-6-13/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,17,18,19)/t14-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133417422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).