N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine

C18H31N5 — CID 50967883

IUPACN,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1nc(N(C)C)nc(N2CCC(N3CCCCC3)CC2)c1C
InChIInChI=1S/C18H31N5/c1-14-15(2)19-18(21(3)4)20-17(14)23-12-8-16(9-13-23)22-10-6-5-7-11-22/h16H,5-13H2,1-4H3
InChIKeyJYCJOLVUMZSYOG-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.61
Rot. Bonds3

About N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine

N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 50967883) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID50967883
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC NameN,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1nc(N(C)C)nc(N2CCC(N3CCCCC3)CC2)c1C
InChIInChI=1S/C18H31N5/c1-14-15(2)19-18(21(3)4)20-17(14)23-12-8-16(9-13-23)22-10-6-5-7-11-22/h16H,5-13H2,1-4H3
InChIKeyJYCJOLVUMZSYOG-UHFFFAOYSA-N
XLogP2.61
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine (CID 50967883) is N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine is Cc1nc(N(C)C)nc(N2CCC(N3CCCCC3)CC2)c1C.
What is the InChIKey of N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is JYCJOLVUMZSYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-14-15(2)19-18(21(3)4)20-17(14)23-12-8-16(9-13-23)22-10-6-5-7-11-22/h16H,5-13H2,1-4H3.
What are the key properties of N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine?
N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 317.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,5-tetramethyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 50967883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).