4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine

C11H18N4O — CID 80789731

IUPAC4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1N(C)C1CCOCC1
InChIInChI=1S/C11H18N4O/c1-8-10(12)13-7-14-11(8)15(2)9-3-5-16-6-4-9/h7,9H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyKHCVNXZNRDKDSO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.98
Rot. Bonds2

About 4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine

4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine (PubChem CID 80789731) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
PubChem CID80789731
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1N(C)C1CCOCC1
InChIInChI=1S/C11H18N4O/c1-8-10(12)13-7-14-11(8)15(2)9-3-5-16-6-4-9/h7,9H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyKHCVNXZNRDKDSO-UHFFFAOYSA-N
XLogP0.98
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80845882
4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 82744530
5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80906429
N-methyl-N-(oxan-4-yl)-7H-purin-6-amine
CID 155982544
4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560
4-N-(cyclohexylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80799110
N-methyl-N-(oxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 82739319
3-[methyl(oxan-4-yl)amino]pyrazine-2-carbothioamide
CID 55102848
4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide
CID 112755752
4-N-methoxy-4-N,5-dimethylpyrimidine-4,6-diamine
CID 155309702
4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80799335

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine (CID 80789731) is 4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine is Cc1c(N)ncnc1N(C)C1CCOCC1.
What is the InChIKey of 4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The InChIKey is KHCVNXZNRDKDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-10(12)13-7-14-11(8)15(2)9-3-5-16-6-4-9/h7,9H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine has a molecular weight of 222.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80789731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).