N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C20H24N6S — CID 155571464

IUPACN-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC/C(=C(/N)C1CC1)N(N)c1ccc(C(C)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C20H24N6S/c1-12(25-19-17-9-10-27-20(17)24-11-23-19)14-5-7-16(8-6-14)26(22)13(2)18(21)15-3-4-15/h5-12,15H,3-4,21-22H2,1-2H3,(H,23,24,25)/b18-13-
InChIKeyLBRZPLZSOOMSCQ-AQTBWJFISA-N
MW380.52 g/mol
LogP4.14
Rot. Bonds6

About N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155571464) has the molecular formula C20H24N6S and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID155571464
Molecular FormulaC20H24N6S
Molecular Weight380.52 g/mol
Exact Mass380.18
IUPAC NameN-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC/C(=C(/N)C1CC1)N(N)c1ccc(C(C)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C20H24N6S/c1-12(25-19-17-9-10-27-20(17)24-11-23-19)14-5-7-16(8-6-14)26(22)13(2)18(21)15-3-4-15/h5-12,15H,3-4,21-22H2,1-2H3,(H,23,24,25)/b18-13-
InChIKeyLBRZPLZSOOMSCQ-AQTBWJFISA-N
XLogP4.14
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 6539985
4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 11
CID 6539972
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-benzylurea
CID 6539981
Thienopyrimidine deriv. 74
CID 6539983
Thienopyrimidine deriv. 75
CID 6539984
Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
Thienopyrimidine deriv. 10
CID 6539988
Thienopyrimidine deriv. 12
CID 6539989
Thienopyrimidine deriv. 61
CID 6540011
Thienopyrimidine deriv. 79
CID 6540012

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 155571464) is N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is C/C(=C(/N)C1CC1)N(N)c1ccc(C(C)Nc2ncnc3sccc23)cc1.
What is the InChIKey of N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LBRZPLZSOOMSCQ-AQTBWJFISA-N. The full InChI is InChI=1S/C20H24N6S/c1-12(25-19-17-9-10-27-20(17)24-11-23-19)14-5-7-16(8-6-14)26(22)13(2)18(21)15-3-4-15/h5-12,15H,3-4,21-22H2,1-2H3,(H,23,24,25)/b18-13-.
What are the key properties of N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 380.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155571464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).