N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride

C14H20Cl2N4 — CID 12764719

IUPACN,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride
SMILESCCN(CC)c1cc(C)nc(-c2ccncc2)n1.Cl.Cl
InChIInChI=1S/C14H18N4.2ClH/c1-4-18(5-2)13-10-11(3)16-14(17-13)12-6-8-15-9-7-12;;/h6-10H,4-5H2,1-3H3;2*1H
InChIKeyVPJQOILXMALELX-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.54
Rot. Bonds4

About N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride

N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride (PubChem CID 12764719) has the molecular formula C14H20Cl2N4 and a molecular weight of 315.25 g/mol. Its IUPAC name is N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride
PubChem CID12764719
Molecular FormulaC14H20Cl2N4
Molecular Weight315.25 g/mol
Exact Mass314.11
IUPAC NameN,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride
SMILESCCN(CC)c1cc(C)nc(-c2ccncc2)n1.Cl.Cl
InChIInChI=1S/C14H18N4.2ClH/c1-4-18(5-2)13-10-11(3)16-14(17-13)12-6-8-15-9-7-12;;/h6-10H,4-5H2,1-3H3;2*1H
InChIKeyVPJQOILXMALELX-UHFFFAOYSA-N
XLogP3.54
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride?
The IUPAC name of N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride (CID 12764719) is N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride is CCN(CC)c1cc(C)nc(-c2ccncc2)n1.Cl.Cl.
What is the InChIKey of N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride?
The InChIKey is VPJQOILXMALELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4.2ClH/c1-4-18(5-2)13-10-11(3)16-14(17-13)12-6-8-15-9-7-12;;/h6-10H,4-5H2,1-3H3;2*1H.
What are the key properties of N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride?
N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride has a molecular weight of 315.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 12764719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).