6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C16H21N5O — CID 112912422

IUPAC6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCC2CCCO2)nc(NCc2ccccn2)n1
InChIInChI=1S/C16H21N5O/c1-12-9-15(18-11-14-6-4-8-22-14)21-16(20-12)19-10-13-5-2-3-7-17-13/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyNIYRHODFZAGJBV-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.38
Rot. Bonds6

About 6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112912422) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112912422
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCC2CCCO2)nc(NCc2ccccn2)n1
InChIInChI=1S/C16H21N5O/c1-12-9-15(18-11-14-6-4-8-22-14)21-16(20-12)19-10-13-5-2-3-7-17-13/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyNIYRHODFZAGJBV-UHFFFAOYSA-N
XLogP2.38
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(oxolan-2-ylmethyl)-3-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944366
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912410
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912417
6-methyl-4-N-[(3-methylphenyl)methyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912591
4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912596
2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912513
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112912524
6-methyl-N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112912455
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912428
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912581
6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112912645

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112912422) is 6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(NCC2CCCO2)nc(NCc2ccccn2)n1.
What is the InChIKey of 6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is NIYRHODFZAGJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-9-15(18-11-14-6-4-8-22-14)21-16(20-12)19-10-13-5-2-3-7-17-13/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H2,18,19,20,21).
What are the key properties of 6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 299.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112912422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).