N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine

C10H13N3 — CID 130705493

IUPACN,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine
SMILESC=C=Cc1c(C)nc(NC)nc1C
InChIInChI=1S/C10H13N3/c1-5-6-9-7(2)12-10(11-4)13-8(9)3/h6H,1H2,2-4H3,(H,11,12,13)
InChIKeySSYSSWXPUCBWQB-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.93
Rot. Bonds2

About N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine

N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine (PubChem CID 130705493) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine.

Molecular Properties

Compound NameN,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine
PubChem CID130705493
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine
SMILESC=C=Cc1c(C)nc(NC)nc1C
InChIInChI=1S/C10H13N3/c1-5-6-9-7(2)12-10(11-4)13-8(9)3/h6H,1H2,2-4H3,(H,11,12,13)
InChIKeySSYSSWXPUCBWQB-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine?
The IUPAC name of N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine (CID 130705493) is N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine.
What is the SMILES notation for N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine?
The canonical SMILES for N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine is C=C=Cc1c(C)nc(NC)nc1C.
What is the InChIKey of N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine?
The InChIKey is SSYSSWXPUCBWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-5-6-9-7(2)12-10(11-4)13-8(9)3/h6H,1H2,2-4H3,(H,11,12,13).
What are the key properties of N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine?
N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine has a molecular weight of 175.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-5-propa-1,2-dienylpyrimidin-2-amine is sourced from PubChem (CID 130705493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).