(3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one

C10H15N5O2 — CID 39830961

IUPAC(3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCOc1cc(N[C@H]2CCN(C)C2=O)nc(N)n1
InChIInChI=1S/C10H15N5O2/c1-15-4-3-6(9(15)16)12-7-5-8(17-2)14-10(11)13-7/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)/t6-/m0/s1
InChIKeyXJAZQPVLEYSMBR-LURJTMIESA-N
MW237.26 g/mol
LogP-0.29
Rot. Bonds3

About (3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one

(3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 39830961) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID39830961
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name(3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCOc1cc(N[C@H]2CCN(C)C2=O)nc(N)n1
InChIInChI=1S/C10H15N5O2/c1-15-4-3-6(9(15)16)12-7-5-8(17-2)14-10(11)13-7/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)/t6-/m0/s1
InChIKeyXJAZQPVLEYSMBR-LURJTMIESA-N
XLogP-0.29
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one (CID 39830961) is (3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one is COc1cc(N[C@H]2CCN(C)C2=O)nc(N)n1.
What is the InChIKey of (3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is XJAZQPVLEYSMBR-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N5O2/c1-15-4-3-6(9(15)16)12-7-5-8(17-2)14-10(11)13-7/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)/t6-/m0/s1.
What are the key properties of (3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
(3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 237.26 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 39830961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).