N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

C19H23N3O2 — CID 126448627

IUPACN-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOc1cccc(CN(c2cc([C@@H]3CCOC3)ncn2)C2CC2)c1
InChIInChI=1S/C19H23N3O2/c1-23-17-4-2-3-14(9-17)11-22(16-5-6-16)19-10-18(20-13-21-19)15-7-8-24-12-15/h2-4,9-10,13,15-16H,5-8,11-12H2,1H3/t15-/m1/s1
InChIKeyHLSQWZRVCATOSO-OAHLLOKOSA-N
MW325.41 g/mol
LogP3.16
Rot. Bonds6

About N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126448627) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126448627
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOc1cccc(CN(c2cc([C@@H]3CCOC3)ncn2)C2CC2)c1
InChIInChI=1S/C19H23N3O2/c1-23-17-4-2-3-14(9-17)11-22(16-5-6-16)19-10-18(20-13-21-19)15-7-8-24-12-15/h2-4,9-10,13,15-16H,5-8,11-12H2,1H3/t15-/m1/s1
InChIKeyHLSQWZRVCATOSO-OAHLLOKOSA-N
XLogP3.16
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol
CID 125171874
1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone
CID 58202141
N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119065901
N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine
CID 126451956
3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91774761
6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine
CID 126447609
4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423761
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118769126
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827
3-[(3-methoxyphenyl)methyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile
CID 95633268
3-[(3-methoxyphenyl)methyl-(oxolan-3-ylmethyl)amino]propanenitrile
CID 56794343

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (CID 126448627) is N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is COc1cccc(CN(c2cc([C@@H]3CCOC3)ncn2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is HLSQWZRVCATOSO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-23-17-4-2-3-14(9-17)11-22(16-5-6-16)19-10-18(20-13-21-19)15-7-8-24-12-15/h2-4,9-10,13,15-16H,5-8,11-12H2,1H3/t15-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 325.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126448627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).