1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one

C19H31N5O — CID 128972702

IUPAC1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one
SMILESCC(CC1CCCC1)C(=O)N1CCC(N(C)Cc2nccc(N)n2)C1
InChIInChI=1S/C19H31N5O/c1-14(11-15-5-3-4-6-15)19(25)24-10-8-16(12-24)23(2)13-18-21-9-7-17(20)22-18/h7,9,14-16H,3-6,8,10-13H2,1-2H3,(H2,20,21,22)
InChIKeyVUYGQIPIPRAOFT-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.31
Rot. Bonds6

About 1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one

1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one (PubChem CID 128972702) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one
PubChem CID128972702
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one
SMILESCC(CC1CCCC1)C(=O)N1CCC(N(C)Cc2nccc(N)n2)C1
InChIInChI=1S/C19H31N5O/c1-14(11-15-5-3-4-6-15)19(25)24-10-8-16(12-24)23(2)13-18-21-9-7-17(20)22-18/h7,9,14-16H,3-6,8,10-13H2,1-2H3,(H2,20,21,22)
InChIKeyVUYGQIPIPRAOFT-UHFFFAOYSA-N
XLogP2.31
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one?
The IUPAC name of 1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one (CID 128972702) is 1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one is CC(CC1CCCC1)C(=O)N1CCC(N(C)Cc2nccc(N)n2)C1.
What is the InChIKey of 1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one?
The InChIKey is VUYGQIPIPRAOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14(11-15-5-3-4-6-15)19(25)24-10-8-16(12-24)23(2)13-18-21-9-7-17(20)22-18/h7,9,14-16H,3-6,8,10-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one?
1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one has a molecular weight of 345.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-3-cyclopentyl-2-methylpropan-1-one is sourced from PubChem (CID 128972702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).