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

C12H20N4O — CID 80845882

IUPAC4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1N(C)CC1CCOCC1
InChIInChI=1S/C12H20N4O/c1-9-11(13)14-8-15-12(9)16(2)7-10-3-5-17-6-4-10/h8,10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyUNHVBJUQBSKUTD-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.23
Rot. Bonds3

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

4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80845882) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80845882
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1N(C)CC1CCOCC1
InChIInChI=1S/C12H20N4O/c1-9-11(13)14-8-15-12(9)16(2)7-10-3-5-17-6-4-10/h8,10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyUNHVBJUQBSKUTD-UHFFFAOYSA-N
XLogP1.23
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine (CID 80845882) is 4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine is Cc1c(N)ncnc1N(C)CC1CCOCC1.
What is the InChIKey of 4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is UNHVBJUQBSKUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(13)14-8-15-12(9)16(2)7-10-3-5-17-6-4-10/h8,10H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.23, 3 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-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80845882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).