5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine

C16H26N4O — CID 83179651

IUPAC5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(N(C)CC2CCCOC2)ncc1CNC1CC1
InChIInChI=1S/C16H26N4O/c1-12-14(8-17-15-5-6-15)9-18-16(19-12)20(2)10-13-4-3-7-21-11-13/h9,13,15,17H,3-8,10-11H2,1-2H3
InChIKeyDLIIPIXRKVPPEL-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.90
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine

5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine (PubChem CID 83179651) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine
PubChem CID83179651
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(N(C)CC2CCCOC2)ncc1CNC1CC1
InChIInChI=1S/C16H26N4O/c1-12-14(8-17-15-5-6-15)9-18-16(19-12)20(2)10-13-4-3-7-21-11-13/h9,13,15,17H,3-8,10-11H2,1-2H3
InChIKeyDLIIPIXRKVPPEL-UHFFFAOYSA-N
XLogP1.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-N,4-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83186072
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 83185706
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83186362
N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114206491
[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184195
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
CID 97044604
2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
CID 71922518
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine
CID 83186208
N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 114216347
5-[(cyclopropylamino)methyl]-4-methyl-N-propan-2-yl-N-propylpyrimidin-2-amine
CID 83185509
N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83189633
5-(chloromethyl)-N,4-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 83183810

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine (CID 83179651) is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine is Cc1nc(N(C)CC2CCCOC2)ncc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is DLIIPIXRKVPPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-14(8-17-15-5-6-15)9-18-16(19-12)20(2)10-13-4-3-7-21-11-13/h9,13,15,17H,3-8,10-11H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine?
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 290.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 83179651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).