1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine

C10H15N3O — CID 62748187

IUPAC1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
SMILESc1cc(CNCC2CCOC2)ncn1
InChIInChI=1S/C10H15N3O/c1-3-11-8-13-10(1)6-12-5-9-2-4-14-7-9/h1,3,8-9,12H,2,4-7H2
InChIKeyPPGKJUSHDDCCLM-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.60
Rot. Bonds4

About 1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine

1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine (PubChem CID 62748187) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
PubChem CID62748187
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
SMILESc1cc(CNCC2CCOC2)ncn1
InChIInChI=1S/C10H15N3O/c1-3-11-8-13-10(1)6-12-5-9-2-4-14-7-9/h1,3,8-9,12H,2,4-7H2
InChIKeyPPGKJUSHDDCCLM-UHFFFAOYSA-N
XLogP0.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine 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

1-cyclopentyl-N-(pyrimidin-4-ylmethyl)methanamine
CID 62760594
6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 79781899
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920797
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 45198325
1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63852262
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 114111090
N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 82733178
1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine
CID 63712207
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine (CID 62748187) is 1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine is c1cc(CNCC2CCOC2)ncn1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine?
The InChIKey is PPGKJUSHDDCCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-11-8-13-10(1)6-12-5-9-2-4-14-7-9/h1,3,8-9,12H,2,4-7H2.
What are the key properties of 1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine?
1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine has a molecular weight of 193.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine is sourced from PubChem (CID 62748187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).