N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

C19H24N6 — CID 50976171

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H24N6/c1-13-9-17(22-18(21-13)14-7-6-8-20-11-14)25(5)12-15-10-16(24-23-15)19(2,3)4/h6-11H,12H2,1-5H3,(H,23,24)
InChIKeyPTWVEFVKDQKVHO-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.50
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 50976171) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID50976171
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H24N6/c1-13-9-17(22-18(21-13)14-7-6-8-20-11-14)25(5)12-15-10-16(24-23-15)19(2,3)4/h6-11H,12H2,1-5H3,(H,23,24)
InChIKeyPTWVEFVKDQKVHO-UHFFFAOYSA-N
XLogP3.50
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (CID 50976171) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is Cc1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)nc(-c2cccnc2)n1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is PTWVEFVKDQKVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-13-9-17(22-18(21-13)14-7-6-8-20-11-14)25(5)12-15-10-16(24-23-15)19(2,3)4/h6-11H,12H2,1-5H3,(H,23,24).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 50976171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).