N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine

C19H28N6 — CID 127244833

IUPACN,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCC(C)c1ncc(CN2CCCCC2c2ccnc(N(C)C)n2)cn1
InChIInChI=1S/C19H28N6/c1-14(2)18-21-11-15(12-22-18)13-25-10-6-5-7-17(25)16-8-9-20-19(23-16)24(3)4/h8-9,11-12,14,17H,5-7,10,13H2,1-4H3
InChIKeyNJVRLNNGJCARIE-UHFFFAOYSA-N
MW340.48 g/mol
LogP3.18
Rot. Bonds5

About N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine

N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 127244833) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID127244833
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC NameN,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCC(C)c1ncc(CN2CCCCC2c2ccnc(N(C)C)n2)cn1
InChIInChI=1S/C19H28N6/c1-14(2)18-21-11-15(12-22-18)13-25-10-6-5-7-17(25)16-8-9-20-19(23-16)24(3)4/h8-9,11-12,14,17H,5-7,10,13H2,1-4H3
InChIKeyNJVRLNNGJCARIE-UHFFFAOYSA-N
XLogP3.18
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (CID 127244833) is N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is CC(C)c1ncc(CN2CCCCC2c2ccnc(N(C)C)n2)cn1.
What is the InChIKey of N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is NJVRLNNGJCARIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-14(2)18-21-11-15(12-22-18)13-25-10-6-5-7-17(25)16-8-9-20-19(23-16)24(3)4/h8-9,11-12,14,17H,5-7,10,13H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 340.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 127244833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).