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

C15H25N5 — CID 59777341

IUPAC4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C3CCCCC3)nc(N)n2)C1
InChIInChI=1S/C15H25N5/c1-17-12-7-8-20(10-12)14-9-13(18-15(16)19-14)11-5-3-2-4-6-11/h9,11-12,17H,2-8,10H2,1H3,(H2,16,18,19)/t12-/m1/s1
InChIKeyYGIIEYJCEMDSRT-GFCCVEGCSA-N
MW275.40 g/mol
LogP1.90
Rot. Bonds3

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

4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 59777341) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID59777341
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C3CCCCC3)nc(N)n2)C1
InChIInChI=1S/C15H25N5/c1-17-12-7-8-20(10-12)14-9-13(18-15(16)19-14)11-5-3-2-4-6-11/h9,11-12,17H,2-8,10H2,1H3,(H2,16,18,19)/t12-/m1/s1
InChIKeyYGIIEYJCEMDSRT-GFCCVEGCSA-N
XLogP1.90
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 59777341) is 4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@@H]1CCN(c2cc(C3CCCCC3)nc(N)n2)C1.
What is the InChIKey of 4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is YGIIEYJCEMDSRT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N5/c1-17-12-7-8-20(10-12)14-9-13(18-15(16)19-14)11-5-3-2-4-6-11/h9,11-12,17H,2-8,10H2,1H3,(H2,16,18,19)/t12-/m1/s1.
What are the key properties of 4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 275.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 59777341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).