6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine

C14H24N4O — CID 80934388

IUPAC6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCCCO2)nc(CC)n1
InChIInChI=1S/C14H24N4O/c1-3-12-17-13(15-4-2)9-14(18-12)16-10-11-7-5-6-8-19-11/h9,11H,3-8,10H2,1-2H3,(H2,15,16,17,18)
InChIKeyXYZXECSIUZSJPI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.45
Rot. Bonds6

About 6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine

6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80934388) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80934388
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCCCO2)nc(CC)n1
InChIInChI=1S/C14H24N4O/c1-3-12-17-13(15-4-2)9-14(18-12)16-10-11-7-5-6-8-19-11/h9,11H,3-8,10H2,1-2H3,(H2,15,16,17,18)
InChIKeyXYZXECSIUZSJPI-UHFFFAOYSA-N
XLogP2.45
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80938700
6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82453883
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
2-cyclopropyl-6-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80961722
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80963825
2-cyclopropyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967552
6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 55188916
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 82460809

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine (CID 80934388) is 6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine is CCNc1cc(NCC2CCCCO2)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is XYZXECSIUZSJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12-17-13(15-4-2)9-14(18-12)16-10-11-7-5-6-8-19-11/h9,11H,3-8,10H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80934388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).