4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine

C17H24N6O — CID 95121436

IUPAC4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCC(C)[C@@H](Nc1cc(N2CCOCC2)nc(N)n1)c1ccccn1
InChIInChI=1S/C17H24N6O/c1-12(2)16(13-5-3-4-6-19-13)20-14-11-15(22-17(18)21-14)23-7-9-24-10-8-23/h3-6,11-12,16H,7-10H2,1-2H3,(H3,18,20,21,22)/t16-/m1/s1
InChIKeyBBHXFXBNDKXVLO-MRXNPFEDSA-N
MW328.42 g/mol
LogP2.10
Rot. Bonds5

About 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine

4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 95121436) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID95121436
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCC(C)[C@@H](Nc1cc(N2CCOCC2)nc(N)n1)c1ccccn1
InChIInChI=1S/C17H24N6O/c1-12(2)16(13-5-3-4-6-19-13)20-14-11-15(22-17(18)21-14)23-7-9-24-10-8-23/h3-6,11-12,16H,7-10H2,1-2H3,(H3,18,20,21,22)/t16-/m1/s1
InChIKeyBBHXFXBNDKXVLO-MRXNPFEDSA-N
XLogP2.10
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 95121436) is 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine is CC(C)[C@@H](Nc1cc(N2CCOCC2)nc(N)n1)c1ccccn1.
What is the InChIKey of 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is BBHXFXBNDKXVLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(2)16(13-5-3-4-6-19-13)20-14-11-15(22-17(18)21-14)23-7-9-24-10-8-23/h3-6,11-12,16H,7-10H2,1-2H3,(H3,18,20,21,22)/t16-/m1/s1.
What are the key properties of 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 328.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 95121436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).