N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride

C8H16Cl2N4 — CID 146049995

IUPACN,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride
SMILESCNCc1cnc(N(C)C)nc1.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-9-4-7-5-10-8(11-6-7)12(2)3;;/h5-6,9H,4H2,1-3H3;2*1H
InChIKeyBRVKLSXXRGSKDS-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.11
Rot. Bonds3

About N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride

N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride (PubChem CID 146049995) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride
PubChem CID146049995
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC NameN,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride
SMILESCNCc1cnc(N(C)C)nc1.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-9-4-7-5-10-8(11-6-7)12(2)3;;/h5-6,9H,4H2,1-3H3;2*1H
InChIKeyBRVKLSXXRGSKDS-UHFFFAOYSA-N
XLogP1.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride (CID 146049995) is N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride is CNCc1cnc(N(C)C)nc1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride?
The InChIKey is BRVKLSXXRGSKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c1-9-4-7-5-10-8(11-6-7)12(2)3;;/h5-6,9H,4H2,1-3H3;2*1H.
What are the key properties of N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride?
N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 146049995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).