N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

C17H23N5O — CID 125167730

IUPACN-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1nc([C@@H]2CCOC2)cc(N(Cc2nccn2C)C2CC2)n1
InChIInChI=1S/C17H23N5O/c1-12-19-15(13-5-8-23-11-13)9-16(20-12)22(14-3-4-14)10-17-18-6-7-21(17)2/h6-7,9,13-14H,3-5,8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyRBEZEXIFSRHASX-CYBMUJFWSA-N
MW313.41 g/mol
LogP2.19
Rot. Bonds5

About N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 125167730) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID125167730
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1nc([C@@H]2CCOC2)cc(N(Cc2nccn2C)C2CC2)n1
InChIInChI=1S/C17H23N5O/c1-12-19-15(13-5-8-23-11-13)9-16(20-12)22(14-3-4-14)10-17-18-6-7-21(17)2/h6-7,9,13-14H,3-5,8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyRBEZEXIFSRHASX-CYBMUJFWSA-N
XLogP2.19
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 118787676
N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119064787
1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol
CID 119071470
N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126432434
N,2-dimethyl-6-(oxolan-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 119063368
2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol
CID 126452469
N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 126439203
N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 119067183
N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine
CID 124757448
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125170663
3-[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]-(pyridin-4-ylmethyl)amino]propan-1-ol
CID 118794411
N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119074155

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (CID 125167730) is N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is Cc1nc([C@@H]2CCOC2)cc(N(Cc2nccn2C)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is RBEZEXIFSRHASX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-19-15(13-5-8-23-11-13)9-16(20-12)22(14-3-4-14)10-17-18-6-7-21(17)2/h6-7,9,13-14H,3-5,8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125167730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).