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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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).