2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one

C15H27N3O — CID 55236072

IUPAC2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)CCC(C)C)c(C)n1
InChIInChI=1S/C15H27N3O/c1-11(2)6-7-12(3)16-8-9-18-14(5)17-13(4)10-15(18)19/h10-12,16H,6-9H2,1-5H3
InChIKeyCPYSUXJIWUDAPW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.27
Rot. Bonds7

About 2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one

2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one (PubChem CID 55236072) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
PubChem CID55236072
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)CCC(C)C)c(C)n1
InChIInChI=1S/C15H27N3O/c1-11(2)6-7-12(3)16-8-9-18-14(5)17-13(4)10-15(18)19/h10-12,16H,6-9H2,1-5H3
InChIKeyCPYSUXJIWUDAPW-UHFFFAOYSA-N
XLogP2.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
6-(1-azepanylmethyl)-2-isopropyl-4(3H)-pyrimidinone
CID 136046577
6-[(Azocan-1-YL)methyl]-2-(propan-2-YL)-3,4-dihydropyrimidin-4-one
CID 136046579
6-[(4-cyclohexylpiperazino)methyl]-2-isopropyl-4(3H)-pyrimidinone
CID 136087957
2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 136896441
4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
CID 157847969
2-(3-methylbutyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095369
2-(4-methylcyclohexyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136095614

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one (CID 55236072) is 2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCNC(C)CCC(C)C)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is CPYSUXJIWUDAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)6-7-12(3)16-8-9-18-14(5)17-13(4)10-15(18)19/h10-12,16H,6-9H2,1-5H3.
What are the key properties of 2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 265.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 55236072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).