4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine

C18H30N4O2 — CID 75478883

IUPAC4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(CC1CCCOC1)c1cc(N(C)CC2CCCOC2)ncn1
InChIInChI=1S/C18H30N4O2/c1-21(10-15-5-3-7-23-12-15)17-9-18(20-14-19-17)22(2)11-16-6-4-8-24-13-16/h9,14-16H,3-8,10-13H2,1-2H3
InChIKeyFHPFFBCRCOVCIZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.20
Rot. Bonds6

About 4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 75478883) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID75478883
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(CC1CCCOC1)c1cc(N(C)CC2CCCOC2)ncn1
InChIInChI=1S/C18H30N4O2/c1-21(10-15-5-3-7-23-12-15)17-9-18(20-14-19-17)22(2)11-16-6-4-8-24-13-16/h9,14-16H,3-8,10-13H2,1-2H3
InChIKeyFHPFFBCRCOVCIZ-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine (CID 75478883) is 4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine is CN(CC1CCCOC1)c1cc(N(C)CC2CCCOC2)ncn1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is FHPFFBCRCOVCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-21(10-15-5-3-7-23-12-15)17-9-18(20-14-19-17)22(2)11-16-6-4-8-24-13-16/h9,14-16H,3-8,10-13H2,1-2H3.
What are the key properties of 4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 334.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 75478883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).