4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C24H38N8O2 — CID 88914541

IUPAC4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESC=C(/C=C(\NN)C1CC1)Nc1cc(OCCN(CC)CC)nc(NCc2cc(C(C)C)no2)n1
InChIInChI=1S/C24H38N8O2/c1-6-32(7-2)10-11-33-23-14-22(27-17(5)12-21(30-25)18-8-9-18)28-24(29-23)26-15-19-13-20(16(3)4)31-34-19/h12-14,16,18,30H,5-11,15,25H2,1-4H3,(H2,26,27,28,29)/b21-12-
InChIKeyVGHGHBLPRJUOLV-MTJSOVHGSA-N
MW470.62 g/mol
LogP3.60
Rot. Bonds15

About 4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 88914541) has the molecular formula C24H38N8O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID88914541
Molecular FormulaC24H38N8O2
Molecular Weight470.62 g/mol
Exact Mass470.31
IUPAC Name4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESC=C(/C=C(\NN)C1CC1)Nc1cc(OCCN(CC)CC)nc(NCc2cc(C(C)C)no2)n1
InChIInChI=1S/C24H38N8O2/c1-6-32(7-2)10-11-33-23-14-22(27-17(5)12-21(30-25)18-8-9-18)28-24(29-23)26-15-19-13-20(16(3)4)31-34-19/h12-14,16,18,30H,5-11,15,25H2,1-4H3,(H2,26,27,28,29)/b21-12-
InChIKeyVGHGHBLPRJUOLV-MTJSOVHGSA-N
XLogP3.60
TPSA126.39 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 88914541) is 4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is C=C(/C=C(\NN)C1CC1)Nc1cc(OCCN(CC)CC)nc(NCc2cc(C(C)C)no2)n1.
What is the InChIKey of 4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is VGHGHBLPRJUOLV-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H38N8O2/c1-6-32(7-2)10-11-33-23-14-22(27-17(5)12-21(30-25)18-8-9-18)28-24(29-23)26-15-19-13-20(16(3)4)31-34-19/h12-14,16,18,30H,5-11,15,25H2,1-4H3,(H2,26,27,28,29)/b21-12-.
What are the key properties of 4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 470.62 g/mol, XLogP of 3.60, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 88914541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).