N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine

C18H28N6 — CID 110117217

IUPACN,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
SMILESCCCn1cc(CN2CCCC2c2nccc(CN(C)C)n2)cn1
InChIInChI=1S/C18H28N6/c1-4-9-24-13-15(11-20-24)12-23-10-5-6-17(23)18-19-8-7-16(21-18)14-22(2)3/h7-8,11,13,17H,4-6,9-10,12,14H2,1-3H3
InChIKeyWENZQIAJODZCMK-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.48
Rot. Bonds7

About N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine

N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine (PubChem CID 110117217) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
PubChem CID110117217
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC NameN,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
SMILESCCCn1cc(CN2CCCC2c2nccc(CN(C)C)n2)cn1
InChIInChI=1S/C18H28N6/c1-4-9-24-13-15(11-20-24)12-23-10-5-6-17(23)18-19-8-7-16(21-18)14-22(2)3/h7-8,11,13,17H,4-6,9-10,12,14H2,1-3H3
InChIKeyWENZQIAJODZCMK-UHFFFAOYSA-N
XLogP2.48
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine (CID 110117217) is N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine is CCCn1cc(CN2CCCC2c2nccc(CN(C)C)n2)cn1.
What is the InChIKey of N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The InChIKey is WENZQIAJODZCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-4-9-24-13-15(11-20-24)12-23-10-5-6-17(23)18-19-8-7-16(21-18)14-22(2)3/h7-8,11,13,17H,4-6,9-10,12,14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine has a molecular weight of 328.46 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 110117217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).