4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane

C19H35N3 — CID 163389278

IUPAC4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane
SMILESC/C=C(\c1cnc(NC)nc1C(C)CC)C(C)C.CC(C)C
InChIInChI=1S/C15H25N3.C4H10/c1-7-11(5)14-13(12(8-2)10(3)4)9-17-15(16-6)18-14;1-4(2)3/h8-11H,7H2,1-6H3,(H,16,17,18);4H,1-3H3/b12-8-;
InChIKeyTWJKJJFHKHBDGX-JCTPKUEWSA-N
MW305.51 g/mol
LogP5.75
Rot. Bonds5

About 4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane

4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane (PubChem CID 163389278) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane.

Molecular Properties

Compound Name4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane
PubChem CID163389278
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane
SMILESC/C=C(\c1cnc(NC)nc1C(C)CC)C(C)C.CC(C)C
InChIInChI=1S/C15H25N3.C4H10/c1-7-11(5)14-13(12(8-2)10(3)4)9-17-15(16-6)18-14;1-4(2)3/h8-11H,7H2,1-6H3,(H,16,17,18);4H,1-3H3/b12-8-;
InChIKeyTWJKJJFHKHBDGX-JCTPKUEWSA-N
XLogP5.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane with MolForge

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Related Compounds

4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine
CID 163389896
5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine
CID 130483355
[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
CID 126974118
4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid
CID 62892836
5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine
CID 130483336
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80780223
3-butan-2-yl-N-ethylpyrazin-2-amine
CID 112559319
4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 107669596
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80778757
4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80866074
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811446

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane?
The IUPAC name of 4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane (CID 163389278) is 4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane.
What is the SMILES notation for 4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane?
The canonical SMILES for 4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane is C/C=C(\c1cnc(NC)nc1C(C)CC)C(C)C.CC(C)C.
What is the InChIKey of 4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane?
The InChIKey is TWJKJJFHKHBDGX-JCTPKUEWSA-N. The full InChI is InChI=1S/C15H25N3.C4H10/c1-7-11(5)14-13(12(8-2)10(3)4)9-17-15(16-6)18-14;1-4(2)3/h8-11H,7H2,1-6H3,(H,16,17,18);4H,1-3H3/b12-8-;.
What are the key properties of 4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane?
4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane has a molecular weight of 305.51 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane is sourced from PubChem (CID 163389278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).