(3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine

C16H27N5O — CID 95598765

IUPAC(3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC[C@H](NCc2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C16H27N5O/c1-13(2)21-4-3-15(12-21)17-9-14-10-18-16(19-11-14)20-5-7-22-8-6-20/h10-11,13,15,17H,3-9,12H2,1-2H3/t15-/m0/s1
InChIKeyUVELYIHMRSHUMV-HNNXBMFYSA-N
MW305.43 g/mol
LogP0.89
Rot. Bonds5

About (3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine

(3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 95598765) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
PubChem CID95598765
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC[C@H](NCc2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C16H27N5O/c1-13(2)21-4-3-15(12-21)17-9-14-10-18-16(19-11-14)20-5-7-22-8-6-20/h10-11,13,15,17H,3-9,12H2,1-2H3/t15-/m0/s1
InChIKeyUVELYIHMRSHUMV-HNNXBMFYSA-N
XLogP0.89
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine with MolForge

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Related Compounds

(2-(Morpholin-4-yl)pyrimidin-5-yl)methanamine
CID 42556097
5-ethyl-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 50959308
N-(3-methoxypropyl)-1-methyl-N-{[2-(1-pyrrolidinyl)-5-pyrimidinyl]methyl}-4-piperidinamine
CID 70769900
5-bromo-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981394
N-{(3R*,4S*)-4-cyclopropyl-1-[2-methyl-2-(4-morpholinyl)propyl]-3-pyrrolidinyl}-2-pyrimidinamine
CID 72846746
5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 73440651
2-Ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine
CID 95857239
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 95857248
rel-(3aS,6aS)-1-{[2-(4-morpholinyl)-5-pyrimidinyl]methyl}octahydropyrrolo[3,4-b]pyrrole dihydrochloride
CID 70757799
5-ethyl-2-methyl-N-[(3R*,4R*)-4-morpholin-4-yltetrahydrofuran-3-yl]pyrimidin-4-amine
CID 50948859

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine (CID 95598765) is (3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CC[C@H](NCc2cnc(N3CCOCC3)nc2)C1.
What is the InChIKey of (3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is UVELYIHMRSHUMV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-13(2)21-4-3-15(12-21)17-9-14-10-18-16(19-11-14)20-5-7-22-8-6-20/h10-11,13,15,17H,3-9,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
(3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 305.43 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 95598765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).