N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine

C29H42N4S — CID 143376448

IUPACN-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCCCC(CCC(C)C)C1NC(c2cccc(C)c2)=C(c2ccnc(NC3CCCCC3)n2)S1
InChIInChI=1S/C29H42N4S/c1-5-10-22(16-15-20(2)3)28-33-26(23-12-9-11-21(4)19-23)27(34-28)25-17-18-30-29(32-25)31-24-13-7-6-8-14-24/h9,11-12,17-20,22,24,28,33H,5-8,10,13-16H2,1-4H3,(H,30,31,32)
InChIKeyJNVJHMCXMQMVEW-UHFFFAOYSA-N
MW478.75 g/mol
LogP7.87
Rot. Bonds10

About N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine

N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 143376448) has the molecular formula C29H42N4S and a molecular weight of 478.75 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID143376448
Molecular FormulaC29H42N4S
Molecular Weight478.75 g/mol
Exact Mass478.31
IUPAC NameN-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCCCC(CCC(C)C)C1NC(c2cccc(C)c2)=C(c2ccnc(NC3CCCCC3)n2)S1
InChIInChI=1S/C29H42N4S/c1-5-10-22(16-15-20(2)3)28-33-26(23-12-9-11-21(4)19-23)27(34-28)25-17-18-30-29(32-25)31-24-13-7-6-8-14-24/h9,11-12,17-20,22,24,28,33H,5-8,10,13-16H2,1-4H3,(H,30,31,32)
InChIKeyJNVJHMCXMQMVEW-UHFFFAOYSA-N
XLogP7.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.75
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 10115398
N-cyclopentyl-3-[2-(hexan-3-ylamino)pyrimidin-4-yl]-2-methylpyrazolo[1,5-a]pyridin-7-amine
CID 142882675
N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine
CID 134502531
N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
CID 90710188
N-cycloheptyl-4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206403
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-cyclopentyl-4-ethynylpyrimidin-2-amine
CID 87270736
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
N-cyclohexyl-6-methyl-2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 809077
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-cyclopropyl-4-(3-methylpyrazin-2-yl)pyrimidin-2-amine
CID 114080483
2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112882404
2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112899961

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 143376448) is N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine is CCCC(CCC(C)C)C1NC(c2cccc(C)c2)=C(c2ccnc(NC3CCCCC3)n2)S1.
What is the InChIKey of N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is JNVJHMCXMQMVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4S/c1-5-10-22(16-15-20(2)3)28-33-26(23-12-9-11-21(4)19-23)27(34-28)25-17-18-30-29(32-25)31-24-13-7-6-8-14-24/h9,11-12,17-20,22,24,28,33H,5-8,10,13-16H2,1-4H3,(H,30,31,32).
What are the key properties of N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 478.75 g/mol, XLogP of 7.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(7-methyloctan-4-yl)-4-(3-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 143376448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).