4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine

C14H25N5O — CID 164633899

IUPAC4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N[C@H]2CCC[C@@H]2N(C)C)nc(N)n1
InChIInChI=1S/C14H25N5O/c1-9(2)20-13-8-12(17-14(15)18-13)16-10-6-5-7-11(10)19(3)4/h8-11H,5-7H2,1-4H3,(H3,15,16,17,18)/t10-,11-/m0/s1
InChIKeyZBPAFAHISONWMU-QWRGUYRKSA-N
MW279.39 g/mol
LogP1.74
Rot. Bonds5

About 4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine

4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine (PubChem CID 164633899) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine
PubChem CID164633899
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N[C@H]2CCC[C@@H]2N(C)C)nc(N)n1
InChIInChI=1S/C14H25N5O/c1-9(2)20-13-8-12(17-14(15)18-13)16-10-6-5-7-11(10)19(3)4/h8-11H,5-7H2,1-4H3,(H3,15,16,17,18)/t10-,11-/m0/s1
InChIKeyZBPAFAHISONWMU-QWRGUYRKSA-N
XLogP1.74
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine (CID 164633899) is 4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine is CC(C)Oc1cc(N[C@H]2CCC[C@@H]2N(C)C)nc(N)n1.
What is the InChIKey of 4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
The InChIKey is ZBPAFAHISONWMU-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H25N5O/c1-9(2)20-13-8-12(17-14(15)18-13)16-10-6-5-7-11(10)19(3)4/h8-11H,5-7H2,1-4H3,(H3,15,16,17,18)/t10-,11-/m0/s1.
What are the key properties of 4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-6-propan-2-yloxypyrimidine-2,4-diamine is sourced from PubChem (CID 164633899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).