6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine

C10H16N4O2 — CID 66318747

IUPAC6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CNC[C@@H]2OC)ncn1
InChIInChI=1S/C10H16N4O2/c1-15-8-5-11-4-7(8)14-9-3-10(16-2)13-6-12-9/h3,6-8,11H,4-5H2,1-2H3,(H,12,13,14)/t7?,8-/m0/s1
InChIKeyYVHDTQBSULPJLM-MQWKRIRWSA-N
MW224.26 g/mol
LogP-0.12
Rot. Bonds4

About 6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine

6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 66318747) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID66318747
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CNC[C@@H]2OC)ncn1
InChIInChI=1S/C10H16N4O2/c1-15-8-5-11-4-7(8)14-9-3-10(16-2)13-6-12-9/h3,6-8,11H,4-5H2,1-2H3,(H,12,13,14)/t7?,8-/m0/s1
InChIKeyYVHDTQBSULPJLM-MQWKRIRWSA-N
XLogP-0.12
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine (CID 66318747) is 6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine is COc1cc(NC2CNC[C@@H]2OC)ncn1.
What is the InChIKey of 6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is YVHDTQBSULPJLM-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-15-8-5-11-4-7(8)14-9-3-10(16-2)13-6-12-9/h3,6-8,11H,4-5H2,1-2H3,(H,12,13,14)/t7?,8-/m0/s1.
What are the key properties of 6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 224.26 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 66318747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).