2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine

C21H36N2 — CID 163726822

IUPAC2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine
SMILESCC[C@@H](C)[C@H](C)[C@@H]1C(C)=CC(C(C)C)=C1C1(C)CCN=C(C)N1
InChIInChI=1S/C21H36N2/c1-9-14(4)16(6)19-15(5)12-18(13(2)3)20(19)21(8)10-11-22-17(7)23-21/h12-14,16,19H,9-11H2,1-8H3,(H,22,23)/t14-,16+,19+,21?/m1/s1
InChIKeyKWIBBLFAKFYOSK-LKMIYTMTSA-N
MW316.53 g/mol
LogP5.37
Rot. Bonds5

About 2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine

2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine (PubChem CID 163726822) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine
PubChem CID163726822
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Name2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine
SMILESCC[C@@H](C)[C@H](C)[C@@H]1C(C)=CC(C(C)C)=C1C1(C)CCN=C(C)N1
InChIInChI=1S/C21H36N2/c1-9-14(4)16(6)19-15(5)12-18(13(2)3)20(19)21(8)10-11-22-17(7)23-21/h12-14,16,19H,9-11H2,1-8H3,(H,22,23)/t14-,16+,19+,21?/m1/s1
InChIKeyKWIBBLFAKFYOSK-LKMIYTMTSA-N
XLogP5.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(2-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-1H-cyclohepta[d]pyrimidine
CID 90705010
ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
CID 144633833

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine?
The IUPAC name of 2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine (CID 163726822) is 2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine.
What is the SMILES notation for 2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine?
The canonical SMILES for 2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine is CC[C@@H](C)[C@H](C)[C@@H]1C(C)=CC(C(C)C)=C1C1(C)CCN=C(C)N1.
What is the InChIKey of 2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine?
The InChIKey is KWIBBLFAKFYOSK-LKMIYTMTSA-N. The full InChI is InChI=1S/C21H36N2/c1-9-14(4)16(6)19-15(5)12-18(13(2)3)20(19)21(8)10-11-22-17(7)23-21/h12-14,16,19H,9-11H2,1-8H3,(H,22,23)/t14-,16+,19+,21?/m1/s1.
What are the key properties of 2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine?
2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine has a molecular weight of 316.53 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine is sourced from PubChem (CID 163726822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).