N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

C14H21N5 — CID 50954395

IUPACN,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCCc1cc(N(C)CCc2cn[nH]c2)nc(C)n1
InChIInChI=1S/C14H21N5/c1-4-5-13-8-14(18-11(2)17-13)19(3)7-6-12-9-15-16-10-12/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyKRGAKZNMHYYTIA-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.14
Rot. Bonds6

About N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 50954395) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID50954395
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCCc1cc(N(C)CCc2cn[nH]c2)nc(C)n1
InChIInChI=1S/C14H21N5/c1-4-5-13-8-14(18-11(2)17-13)19(3)7-6-12-9-15-16-10-12/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyKRGAKZNMHYYTIA-UHFFFAOYSA-N
XLogP2.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 50954395) is N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is CCCc1cc(N(C)CCc2cn[nH]c2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is KRGAKZNMHYYTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-5-13-8-14(18-11(2)17-13)19(3)7-6-12-9-15-16-10-12/h8-10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50954395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).