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

C16H24N6O — CID 95290649

IUPAC(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C16H24N6O/c1-13-7-20-22(11-13)12-14(2)17-8-15-9-18-16(19-10-15)21-3-5-23-6-4-21/h7,9-11,14,17H,3-6,8,12H2,1-2H3/t14-/m0/s1
InChIKeyCNQXMHUVHUSANK-AWEZNQCLSA-N
MW316.41 g/mol
LogP1.00
Rot. Bonds6

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

(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine (PubChem CID 95290649) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine
PubChem CID95290649
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C16H24N6O/c1-13-7-20-22(11-13)12-14(2)17-8-15-9-18-16(19-10-15)21-3-5-23-6-4-21/h7,9-11,14,17H,3-6,8,12H2,1-2H3/t14-/m0/s1
InChIKeyCNQXMHUVHUSANK-AWEZNQCLSA-N
XLogP1.00
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine (CID 95290649) is (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine is Cc1cnn(C[C@H](C)NCc2cnc(N3CCOCC3)nc2)c1.
What is the InChIKey of (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine?
The InChIKey is CNQXMHUVHUSANK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N6O/c1-13-7-20-22(11-13)12-14(2)17-8-15-9-18-16(19-10-15)21-3-5-23-6-4-21/h7,9-11,14,17H,3-6,8,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine?
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine has a molecular weight of 316.41 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 95290649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).