3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C20H34N6 — CID 157301801

IUPAC3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCc1nc(C(C)C)nc(N)c1C.Cc1c(N)nc(C(C)C)c(C)c1N
InChIInChI=1S/2C10H17N3/c1-5-8-7(4)9(11)13-10(12-8)6(2)3;1-5(2)9-6(3)8(11)7(4)10(12)13-9/h6H,5H2,1-4H3,(H2,11,12,13);5H,1-4H3,(H4,11,12,13)
InChIKeyBBZJAKNTGAPUFO-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.04
Rot. Bonds3

About 3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 157301801) has the molecular formula C20H34N6 and a molecular weight of 358.53 g/mol. Its IUPAC name is 3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID157301801
Molecular FormulaC20H34N6
Molecular Weight358.53 g/mol
Exact Mass358.28
IUPAC Name3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCc1nc(C(C)C)nc(N)c1C.Cc1c(N)nc(C(C)C)c(C)c1N
InChIInChI=1S/2C10H17N3/c1-5-8-7(4)9(11)13-10(12-8)6(2)3;1-5(2)9-6(3)8(11)7(4)10(12)13-9/h6H,5H2,1-4H3,(H2,11,12,13);5H,1-4H3,(H4,11,12,13)
InChIKeyBBZJAKNTGAPUFO-UHFFFAOYSA-N
XLogP4.04
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 157301801) is 3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCc1nc(C(C)C)nc(N)c1C.Cc1c(N)nc(C(C)C)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is BBZJAKNTGAPUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17N3/c1-5-8-7(4)9(11)13-10(12-8)6(2)3;1-5(2)9-6(3)8(11)7(4)10(12)13-9/h6H,5H2,1-4H3,(H2,11,12,13);5H,1-4H3,(H4,11,12,13).
What are the key properties of 3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 358.53 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 157301801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).