4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine

C14H22N4O2 — CID 86797851

IUPAC4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
SMILESCC1OCCC1Nc1cc(NC2CCOC2C)ncn1
InChIInChI=1S/C14H22N4O2/c1-9-11(3-5-19-9)17-13-7-14(16-8-15-13)18-12-4-6-20-10(12)2/h7-12H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyQVDNPRJLLZSYEV-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.66
Rot. Bonds4

About 4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine

4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 86797851) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
PubChem CID86797851
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
SMILESCC1OCCC1Nc1cc(NC2CCOC2C)ncn1
InChIInChI=1S/C14H22N4O2/c1-9-11(3-5-19-9)17-13-7-14(16-8-15-13)18-12-4-6-20-10(12)2/h7-12H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyQVDNPRJLLZSYEV-UHFFFAOYSA-N
XLogP1.66
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
CID 82728623
N-(2-methyloxolan-3-yl)-6-propylpyrimidin-4-amine
CID 82728065
4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 130891045
5-methyl-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 82728713
4-N,6-N-bis(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrimidine-4,6-diamine
CID 127909650
5-methoxy-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82737280
2-methyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82736361
N-(2-methyloxolan-3-yl)pyridazin-3-amine
CID 82728832
6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 82736485
N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82727853
6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine
CID 82729405
6-fluoro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-2-amine
CID 130608593

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine (CID 86797851) is 4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine is CC1OCCC1Nc1cc(NC2CCOC2C)ncn1.
What is the InChIKey of 4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is QVDNPRJLLZSYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-11(3-5-19-9)17-13-7-14(16-8-15-13)18-12-4-6-20-10(12)2/h7-12H,3-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 278.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 86797851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).