[(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

C17H20N6O — CID 146186449

IUPAC[(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESC[C@@H]1CCCN1C(=O)c1cnc(NC2(c3cncnc3)CC2)nc1
InChIInChI=1S/C17H20N6O/c1-12-3-2-6-23(12)15(24)13-7-20-16(21-8-13)22-17(4-5-17)14-9-18-11-19-10-14/h7-12H,2-6H2,1H3,(H,20,21,22)/t12-/m1/s1
InChIKeyWGYKRGBBLRMRAW-GFCCVEGCSA-N
MW324.39 g/mol
LogP1.99
Rot. Bonds4

About [(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

[(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (PubChem CID 146186449) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is [(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
PubChem CID146186449
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name[(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESC[C@@H]1CCCN1C(=O)c1cnc(NC2(c3cncnc3)CC2)nc1
InChIInChI=1S/C17H20N6O/c1-12-3-2-6-23(12)15(24)13-7-20-16(21-8-13)22-17(4-5-17)14-9-18-11-19-10-14/h7-12H,2-6H2,1H3,(H,20,21,22)/t12-/m1/s1
InChIKeyWGYKRGBBLRMRAW-GFCCVEGCSA-N
XLogP1.99
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of [(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (CID 146186449) is [(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for [(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for [(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is C[C@@H]1CCCN1C(=O)c1cnc(NC2(c3cncnc3)CC2)nc1.
What is the InChIKey of [(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is WGYKRGBBLRMRAW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-3-2-6-23(12)15(24)13-7-20-16(21-8-13)22-17(4-5-17)14-9-18-11-19-10-14/h7-12H,2-6H2,1H3,(H,20,21,22)/t12-/m1/s1.
What are the key properties of [(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
[(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 146186449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).