4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine

C12H22N4 — CID 80955801

IUPAC4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC(C)C(C)C)n1
InChIInChI=1S/C12H22N4/c1-7(2)9(5)14-11-6-10(13)15-12(16-11)8(3)4/h6-9H,1-5H3,(H3,13,14,15,16)
InChIKeyBWIHNGCKYDIPNF-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.64
Rot. Bonds4

About 4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80955801) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80955801
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC(C)C(C)C)n1
InChIInChI=1S/C12H22N4/c1-7(2)9(5)14-11-6-10(13)15-12(16-11)8(3)4/h6-9H,1-5H3,(H3,13,14,15,16)
InChIKeyBWIHNGCKYDIPNF-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80955801) is 4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1nc(N)cc(NC(C)C(C)C)n1.
What is the InChIKey of 4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is BWIHNGCKYDIPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-7(2)9(5)14-11-6-10(13)15-12(16-11)8(3)4/h6-9H,1-5H3,(H3,13,14,15,16).
What are the key properties of 4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).