1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one

C16H21N5O2 — CID 91784963

IUPAC1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCNc2cc(C3CC(O)C3)ncn2)c(=O)n1
InChIInChI=1S/C16H21N5O2/c1-10-5-11(2)21(16(23)20-10)4-3-17-15-8-14(18-9-19-15)12-6-13(22)7-12/h5,8-9,12-13,22H,3-4,6-7H2,1-2H3,(H,17,18,19)
InChIKeyKQQAFDVHFJMALE-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.00
Rot. Bonds5

About 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 91784963) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID91784963
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCNc2cc(C3CC(O)C3)ncn2)c(=O)n1
InChIInChI=1S/C16H21N5O2/c1-10-5-11(2)21(16(23)20-10)4-3-17-15-8-14(18-9-19-15)12-6-13(22)7-12/h5,8-9,12-13,22H,3-4,6-7H2,1-2H3,(H,17,18,19)
InChIKeyKQQAFDVHFJMALE-UHFFFAOYSA-N
XLogP1.00
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91780188
1-[2-(cyclohexylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 62564492
1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 61386997
4,6-dimethyl-1-[2-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)ethyl]pyrimidin-2-one
CID 56889187
3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91780154
6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine
CID 72919979
3-[6-[2-(1,3-benzoxazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91761814
3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91767301
3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788433
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126427543
1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol
CID 91762966
3-[6-[2-(2H-triazol-4-ylsulfanyl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91764335

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one (CID 91784963) is 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CCNc2cc(C3CC(O)C3)ncn2)c(=O)n1.
What is the InChIKey of 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is KQQAFDVHFJMALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-5-11(2)21(16(23)20-10)4-3-17-15-8-14(18-9-19-15)12-6-13(22)7-12/h5,8-9,12-13,22H,3-4,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 315.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 91784963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).