N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine

C10H16N4O — CID 62770940

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
SMILESCO[C@H]1CNCC1Nc1ccnc(C)n1
InChIInChI=1S/C10H16N4O/c1-7-12-4-3-10(13-7)14-8-5-11-6-9(8)15-2/h3-4,8-9,11H,5-6H2,1-2H3,(H,12,13,14)/t8?,9-/m0/s1
InChIKeyROBSFOBQBBXPLB-GKAPJAKFSA-N
MW208.26 g/mol
LogP0.18
Rot. Bonds3

About N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine

N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine (PubChem CID 62770940) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
PubChem CID62770940
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
SMILESCO[C@H]1CNCC1Nc1ccnc(C)n1
InChIInChI=1S/C10H16N4O/c1-7-12-4-3-10(13-7)14-8-5-11-6-9(8)15-2/h3-4,8-9,11H,5-6H2,1-2H3,(H,12,13,14)/t8?,9-/m0/s1
InChIKeyROBSFOBQBBXPLB-GKAPJAKFSA-N
XLogP0.18
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine (CID 62770940) is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine is CO[C@H]1CNCC1Nc1ccnc(C)n1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
The InChIKey is ROBSFOBQBBXPLB-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-12-4-3-10(13-7)14-8-5-11-6-9(8)15-2/h3-4,8-9,11H,5-6H2,1-2H3,(H,12,13,14)/t8?,9-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine has a molecular weight of 208.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 62770940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).