4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine

C13H22N4O — CID 134700623

IUPAC4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(NCC2CCOCC2)nc1N(C)C
InChIInChI=1S/C13H22N4O/c1-10-8-14-13(16-12(10)17(2)3)15-9-11-4-6-18-7-5-11/h8,11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyAGKIOLTYYWBMKK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.69
Rot. Bonds4

About 4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine

4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 134700623) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID134700623
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(NCC2CCOCC2)nc1N(C)C
InChIInChI=1S/C13H22N4O/c1-10-8-14-13(16-12(10)17(2)3)15-9-11-4-6-18-7-5-11/h8,11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyAGKIOLTYYWBMKK-UHFFFAOYSA-N
XLogP1.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-[[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide
CID 174488816
2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
CID 63726292
3,4-dichloro-N-[4-[[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide
CID 23026897
2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 135108611
5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 83265643
4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 135092417
4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine
CID 50981857
2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 95127438
3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
CID 63726632
2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
CID 62387138
4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63705913
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80789928

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine (CID 134700623) is 4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine is Cc1cnc(NCC2CCOCC2)nc1N(C)C.
What is the InChIKey of 4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is AGKIOLTYYWBMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-8-14-13(16-12(10)17(2)3)15-9-11-4-6-18-7-5-11/h8,11H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 134700623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).