5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine

C15H26ClN5 — CID 141443388

IUPAC5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(N)c(CCC2CCN(C[C@H](C)N)CC2)c(Cl)n1
InChIInChI=1S/C15H26ClN5/c1-10(17)9-21-7-5-12(6-8-21)3-4-13-14(16)19-11(2)20-15(13)18/h10,12H,3-9,17H2,1-2H3,(H2,18,19,20)/t10-/m0/s1
InChIKeyRLMVVRXDSNCLSR-JTQLQIEISA-N
MW311.86 g/mol
LogP2.01
Rot. Bonds5

About 5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine

5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine (PubChem CID 141443388) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine
PubChem CID141443388
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(N)c(CCC2CCN(C[C@H](C)N)CC2)c(Cl)n1
InChIInChI=1S/C15H26ClN5/c1-10(17)9-21-7-5-12(6-8-21)3-4-13-14(16)19-11(2)20-15(13)18/h10,12H,3-9,17H2,1-2H3,(H2,18,19,20)/t10-/m0/s1
InChIKeyRLMVVRXDSNCLSR-JTQLQIEISA-N
XLogP2.01
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine (CID 141443388) is 5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine is Cc1nc(N)c(CCC2CCN(C[C@H](C)N)CC2)c(Cl)n1.
What is the InChIKey of 5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine?
The InChIKey is RLMVVRXDSNCLSR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H26ClN5/c1-10(17)9-21-7-5-12(6-8-21)3-4-13-14(16)19-11(2)20-15(13)18/h10,12H,3-9,17H2,1-2H3,(H2,18,19,20)/t10-/m0/s1.
What are the key properties of 5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine?
5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine has a molecular weight of 311.86 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine is sourced from PubChem (CID 141443388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).