4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine

C10H16N4 — CID 80838310

IUPAC4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
SMILESCC1CC1CN(C)c1cc(N)ncn1
InChIInChI=1S/C10H16N4/c1-7-3-8(7)5-14(2)10-4-9(11)12-6-13-10/h4,6-8H,3,5H2,1-2H3,(H2,11,12,13)
InChIKeyZHCIFIZZRRMPQM-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.15
Rot. Bonds3

About 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine

4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80838310) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
PubChem CID80838310
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
SMILESCC1CC1CN(C)c1cc(N)ncn1
InChIInChI=1S/C10H16N4/c1-7-3-8(7)5-14(2)10-4-9(11)12-6-13-10/h4,6-8H,3,5H2,1-2H3,(H2,11,12,13)
InChIKeyZHCIFIZZRRMPQM-UHFFFAOYSA-N
XLogP1.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine (CID 80838310) is 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine is CC1CC1CN(C)c1cc(N)ncn1.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is ZHCIFIZZRRMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-7-3-8(7)5-14(2)10-4-9(11)12-6-13-10/h4,6-8H,3,5H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 192.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80838310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).