N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C16H22N4S — CID 11941077

IUPACN-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NN=C3[C@@H](C)CCC[C@@H]3C)c2c1C
InChIInChI=1S/C16H22N4S/c1-9-6-5-7-10(2)14(9)19-20-15-13-11(3)12(4)21-16(13)18-8-17-15/h8-10H,5-7H2,1-4H3,(H,17,18,20)/t9-,10-/m0/s1
InChIKeyDLKGVVBUQBLUOT-UWVGGRQHSA-N
MW302.45 g/mol
LogP4.53
Rot. Bonds2

About N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 11941077) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID11941077
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NN=C3[C@@H](C)CCC[C@@H]3C)c2c1C
InChIInChI=1S/C16H22N4S/c1-9-6-5-7-10(2)14(9)19-20-15-13-11(3)12(4)21-16(13)18-8-17-15/h8-10H,5-7H2,1-4H3,(H,17,18,20)/t9-,10-/m0/s1
InChIKeyDLKGVVBUQBLUOT-UWVGGRQHSA-N
XLogP4.53
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 712429
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
N-(1-cyclohexylethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63540281
N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9410779
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine
CID 9409217
4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 62318881
5,6-dimethyl-N-(2-methyloxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103887301
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9409213
1-(azepan-1-yl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081542
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 39081648

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 11941077) is N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NN=C3[C@@H](C)CCC[C@@H]3C)c2c1C.
What is the InChIKey of N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DLKGVVBUQBLUOT-UWVGGRQHSA-N. The full InChI is InChI=1S/C16H22N4S/c1-9-6-5-7-10(2)14(9)19-20-15-13-11(3)12(4)21-16(13)18-8-17-15/h8-10H,5-7H2,1-4H3,(H,17,18,20)/t9-,10-/m0/s1.
What are the key properties of N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 302.45 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11941077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).