[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

C18H30N6O — CID 167849246

IUPAC[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N)C3)n2)CC1
InChIInChI=1S/C18H30N6O/c1-12-13(2)21-16(22-17(12)24-9-6-15(19)11-24)18(25)23-7-4-14(5-8-23)10-20-3/h14-15,20H,4-11,19H2,1-3H3/t15-/m1/s1
InChIKeyPIKLEQGPXCSCDA-OAHLLOKOSA-N
MW346.48 g/mol
LogP0.70
Rot. Bonds4

About [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 167849246) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID167849246
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N)C3)n2)CC1
InChIInChI=1S/C18H30N6O/c1-12-13(2)21-16(22-17(12)24-9-6-15(19)11-24)18(25)23-7-4-14(5-8-23)10-20-3/h14-15,20H,4-11,19H2,1-3H3/t15-/m1/s1
InChIKeyPIKLEQGPXCSCDA-OAHLLOKOSA-N
XLogP0.70
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 146153945
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 146150377
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(9-azaspiro[5.6]dodecan-9-yl)methanone
CID 146101170
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(7-azaspiro[4.6]undecan-7-yl)methanone
CID 154794358
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146153943
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methanone
CID 146113536
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(6,6-dimethyl-1,4-oxazepan-4-yl)methanone
CID 146113579
4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154793531
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(7,7-dimethyl-1,4-diazepan-1-yl)methanone
CID 146150378
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide
CID 167894978
4-[(3R)-3-aminopyrrolidin-1-yl]-N,5,6-trimethyl-N-(3-morpholin-4-ylpropyl)pyrimidine-2-carboxamide
CID 146113583
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
CID 167816129

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 167849246) is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N)C3)n2)CC1.
What is the InChIKey of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is PIKLEQGPXCSCDA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N6O/c1-12-13(2)21-16(22-17(12)24-9-6-15(19)11-24)18(25)23-7-4-14(5-8-23)10-20-3/h14-15,20H,4-11,19H2,1-3H3/t15-/m1/s1.
What are the key properties of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 346.48 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 167849246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).