4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine

C11H16N4 — CID 80801271

IUPAC4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NC(C2CC2)C2CC2)ncn1
InChIInChI=1S/C11H16N4/c12-9-5-10(14-6-13-9)15-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H3,12,13,14,15)
InChIKeyPQVWUNQCISZXIQ-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.66
Rot. Bonds4

About 4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine

4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine (PubChem CID 80801271) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine
PubChem CID80801271
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NC(C2CC2)C2CC2)ncn1
InChIInChI=1S/C11H16N4/c12-9-5-10(14-6-13-9)15-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H3,12,13,14,15)
InChIKeyPQVWUNQCISZXIQ-UHFFFAOYSA-N
XLogP1.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine (CID 80801271) is 4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine is Nc1cc(NC(C2CC2)C2CC2)ncn1.
What is the InChIKey of 4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine?
The InChIKey is PQVWUNQCISZXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c12-9-5-10(14-6-13-9)15-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H3,12,13,14,15).
What are the key properties of 4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine?
4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine has a molecular weight of 204.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(dicyclopropylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80801271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).