4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine

C14H26N2 — CID 145212658

IUPAC4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine
SMILESC=C1C(C(C)C)=C(C(C)C)NCN1CCC
InChIInChI=1S/C14H26N2/c1-7-8-16-9-15-14(11(4)5)13(10(2)3)12(16)6/h10-11,15H,6-9H2,1-5H3
InChIKeyOBKSIVAMBAEEDY-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.34
Rot. Bonds4

About 4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine

4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine (PubChem CID 145212658) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine
PubChem CID145212658
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine
SMILESC=C1C(C(C)C)=C(C(C)C)NCN1CCC
InChIInChI=1S/C14H26N2/c1-7-8-16-9-15-14(11(4)5)13(10(2)3)12(16)6/h10-11,15H,6-9H2,1-5H3
InChIKeyOBKSIVAMBAEEDY-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3E)-4-(fluoromethylamino)-5-methylhepta-1,3-dien-3-yl]-1-methyl-N-prop-1-enyl-2H-pyridin-2-amine
CID 139453634
(1S)-1-N'-[(Z)-but-2-en-2-yl]-1-N-[(5R,6R)-6-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl]but-2-yne-1,1-diamine
CID 174367307
5,6-Di(propan-2-yl)-1,2,3,4-tetrahydropyrimidine
CID 57632413
4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine
CID 71117026
1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine
CID 88892209
(1Z,3Z)-5-(3-methyl-1,2,6,7-tetrahydrobenzimidazol-2-yl)hexa-1,3,5-trien-1-amine
CID 89053476
7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole
CID 89098014
2-Cyclopropyl-3,8-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 89404589
2-Methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane
CID 90244254
3,5-dimethyl-6-methylidene-2,3-dihydro-1H-pyridin-2-amine
CID 130438910
(3Z)-3-(1-ethyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-N-methylpenta-1,3-diene-2,4-diamine
CID 132058460
3,6-Dimethyl-7-methylidene-1,2,5,6-tetrahydroazepin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine?
The IUPAC name of 4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine (CID 145212658) is 4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine.
What is the SMILES notation for 4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine?
The canonical SMILES for 4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine is C=C1C(C(C)C)=C(C(C)C)NCN1CCC.
What is the InChIKey of 4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine?
The InChIKey is OBKSIVAMBAEEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-7-8-16-9-15-14(11(4)5)13(10(2)3)12(16)6/h10-11,15H,6-9H2,1-5H3.
What are the key properties of 4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine?
4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine has a molecular weight of 222.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5,6-di(propan-2-yl)-3-propyl-1,2-dihydropyrimidine is sourced from PubChem (CID 145212658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).