N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine

C15H22N6 — CID 110117145

IUPACN,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
SMILESCN(C)Cc1ccnc(C2CCCN2Cc2ccn[nH]2)n1
InChIInChI=1S/C15H22N6/c1-20(2)10-12-5-7-16-15(18-12)14-4-3-9-21(14)11-13-6-8-17-19-13/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeySRXDHBRXSQDVEB-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.60
Rot. Bonds5

About N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine

N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine (PubChem CID 110117145) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
PubChem CID110117145
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
SMILESCN(C)Cc1ccnc(C2CCCN2Cc2ccn[nH]2)n1
InChIInChI=1S/C15H22N6/c1-20(2)10-12-5-7-16-15(18-12)14-4-3-9-21(14)11-13-6-8-17-19-13/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeySRXDHBRXSQDVEB-UHFFFAOYSA-N
XLogP1.60
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine (CID 110117145) is N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine is CN(C)Cc1ccnc(C2CCCN2Cc2ccn[nH]2)n1.
What is the InChIKey of N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The InChIKey is SRXDHBRXSQDVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-20(2)10-12-5-7-16-15(18-12)14-4-3-9-21(14)11-13-6-8-17-19-13/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 110117145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).