N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine

C20H21ClN6 — CID 134320388

IUPACN-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine
SMILESC=NNc1ccc(-c2cnc(NC(C)(C)c3ncccc3Cl)nc2)cc1C
InChIInChI=1S/C20H21ClN6/c1-13-10-14(7-8-17(13)27-22-4)15-11-24-19(25-12-15)26-20(2,3)18-16(21)6-5-9-23-18/h5-12,27H,4H2,1-3H3,(H,24,25,26)
InChIKeyZGOJBLYQTNUSNZ-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.88
Rot. Bonds6

About N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine

N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine (PubChem CID 134320388) has the molecular formula C20H21ClN6 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine
PubChem CID134320388
Molecular FormulaC20H21ClN6
Molecular Weight380.88 g/mol
Exact Mass380.15
IUPAC NameN-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine
SMILESC=NNc1ccc(-c2cnc(NC(C)(C)c3ncccc3Cl)nc2)cc1C
InChIInChI=1S/C20H21ClN6/c1-13-10-14(7-8-17(13)27-22-4)15-11-24-19(25-12-15)26-20(2,3)18-16(21)6-5-9-23-18/h5-12,27H,4H2,1-3H3,(H,24,25,26)
InChIKeyZGOJBLYQTNUSNZ-UHFFFAOYSA-N
XLogP4.88
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine (CID 134320388) is N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine is C=NNc1ccc(-c2cnc(NC(C)(C)c3ncccc3Cl)nc2)cc1C.
What is the InChIKey of N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine?
The InChIKey is ZGOJBLYQTNUSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6/c1-13-10-14(7-8-17(13)27-22-4)15-11-24-19(25-12-15)26-20(2,3)18-16(21)6-5-9-23-18/h5-12,27H,4H2,1-3H3,(H,24,25,26).
What are the key properties of N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine?
N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine has a molecular weight of 380.88 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 134320388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).