4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine

C21H32N6 — CID 97285280

IUPAC4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine
SMILESCCc1cc(N2CCC(N[C@@H](CC)c3ccncc3)CC2)nc(N(C)C)n1
InChIInChI=1S/C21H32N6/c1-5-17-15-20(25-21(24-17)26(3)4)27-13-9-18(10-14-27)23-19(6-2)16-7-11-22-12-8-16/h7-8,11-12,15,18-19,23H,5-6,9-10,13-14H2,1-4H3/t19-/m0/s1
InChIKeyDOTFTQZKUCWSJM-IBGZPJMESA-N
MW368.53 g/mol
LogP3.21
Rot. Bonds7

About 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine

4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 97285280) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine
PubChem CID97285280
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC Name4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine
SMILESCCc1cc(N2CCC(N[C@@H](CC)c3ccncc3)CC2)nc(N(C)C)n1
InChIInChI=1S/C21H32N6/c1-5-17-15-20(25-21(24-17)26(3)4)27-13-9-18(10-14-27)23-19(6-2)16-7-11-22-12-8-16/h7-8,11-12,15,18-19,23H,5-6,9-10,13-14H2,1-4H3/t19-/m0/s1
InChIKeyDOTFTQZKUCWSJM-IBGZPJMESA-N
XLogP3.21
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine (CID 97285280) is 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine is CCc1cc(N2CCC(N[C@@H](CC)c3ccncc3)CC2)nc(N(C)C)n1.
What is the InChIKey of 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is DOTFTQZKUCWSJM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H32N6/c1-5-17-15-20(25-21(24-17)26(3)4)27-13-9-18(10-14-27)23-19(6-2)16-7-11-22-12-8-16/h7-8,11-12,15,18-19,23H,5-6,9-10,13-14H2,1-4H3/t19-/m0/s1.
What are the key properties of 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine?
4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 368.53 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 97285280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).