4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine

C19H32N8 — CID 97281561

IUPAC4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine
SMILESCCc1cc(N2CCC(N[C@@H](CC)c3ncnn3C)CC2)nc(N(C)C)n1
InChIInChI=1S/C19H32N8/c1-6-14-12-17(24-19(23-14)25(3)4)27-10-8-15(9-11-27)22-16(7-2)18-20-13-21-26(18)5/h12-13,15-16,22H,6-11H2,1-5H3/t16-/m0/s1
InChIKeyNPGKHYDQGWPQDU-INIZCTEOSA-N
MW372.52 g/mol
LogP1.94
Rot. Bonds7

About 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine

4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 97281561) has the molecular formula C19H32N8 and a molecular weight of 372.52 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine
PubChem CID97281561
Molecular FormulaC19H32N8
Molecular Weight372.52 g/mol
Exact Mass372.27
IUPAC Name4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine
SMILESCCc1cc(N2CCC(N[C@@H](CC)c3ncnn3C)CC2)nc(N(C)C)n1
InChIInChI=1S/C19H32N8/c1-6-14-12-17(24-19(23-14)25(3)4)27-10-8-15(9-11-27)22-16(7-2)18-20-13-21-26(18)5/h12-13,15-16,22H,6-11H2,1-5H3/t16-/m0/s1
InChIKeyNPGKHYDQGWPQDU-INIZCTEOSA-N
XLogP1.94
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine (CID 97281561) is 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine is CCc1cc(N2CCC(N[C@@H](CC)c3ncnn3C)CC2)nc(N(C)C)n1.
What is the InChIKey of 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is NPGKHYDQGWPQDU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H32N8/c1-6-14-12-17(24-19(23-14)25(3)4)27-10-8-15(9-11-27)22-16(7-2)18-20-13-21-26(18)5/h12-13,15-16,22H,6-11H2,1-5H3/t16-/m0/s1.
What are the key properties of 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine?
4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 372.52 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 97281561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).