4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C9H14ClN5 — CID 90655030

IUPAC4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(Cl)nc(N)n2)C1
InChIInChI=1S/C9H14ClN5/c1-12-6-2-3-15(5-6)8-4-7(10)13-9(11)14-8/h4,6,12H,2-3,5H2,1H3,(H2,11,13,14)/t6-/m1/s1
InChIKeyCABLMXPICRUENA-ZCFIWIBFSA-N
MW227.70 g/mol
LogP0.51
Rot. Bonds2

About 4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 90655030) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID90655030
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(Cl)nc(N)n2)C1
InChIInChI=1S/C9H14ClN5/c1-12-6-2-3-15(5-6)8-4-7(10)13-9(11)14-8/h4,6,12H,2-3,5H2,1H3,(H2,11,13,14)/t6-/m1/s1
InChIKeyCABLMXPICRUENA-ZCFIWIBFSA-N
XLogP0.51
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 90655030) is 4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@@H]1CCN(c2cc(Cl)nc(N)n2)C1.
What is the InChIKey of 4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is CABLMXPICRUENA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-12-6-2-3-15(5-6)8-4-7(10)13-9(11)14-8/h4,6,12H,2-3,5H2,1H3,(H2,11,13,14)/t6-/m1/s1.
What are the key properties of 4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 227.70 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 90655030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).