6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine

C11H18N4O — CID 80854528

IUPAC6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCC2(C)CCCO2)ncn1
InChIInChI=1S/C11H18N4O/c1-11(4-3-5-16-11)7-13-10-6-9(12-2)14-8-15-10/h6,8H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyCIZCFFYMVKKQTP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.50
Rot. Bonds4

About 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine

6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80854528) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80854528
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCC2(C)CCCO2)ncn1
InChIInChI=1S/C11H18N4O/c1-11(4-3-5-16-11)7-13-10-6-9(12-2)14-8-15-10/h6,8H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyCIZCFFYMVKKQTP-UHFFFAOYSA-N
XLogP1.50
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-((tetrahydrofuran-2-yl)methyl)pyrimidin-4-amine
CID 4778956
2-[[6-(3-Methylpiperidin-1-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 171359339
4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 171359760
N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 171359849
[1-[6-[1-(2,2,2-Trifluoroethoxy)propan-2-ylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144562
2-chloro-5-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80194495
5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771100
5-fluoro-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80771101
2-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771992
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80795859
5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80795951
4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80799053

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine (CID 80854528) is 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine is CNc1cc(NCC2(C)CCCO2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is CIZCFFYMVKKQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(4-3-5-16-11)7-13-10-6-9(12-2)14-8-15-10/h6,8H,3-5,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80854528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).