5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine

C21H33ClN6 — CID 90677863

IUPAC5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H33ClN6/c1-5-28(6-2)13-7-8-14(3)25-15(4)19-18(20(23)27-21(24)26-19)16-9-11-17(22)12-10-16/h9-12,14-15,25H,5-8,13H2,1-4H3,(H4,23,24,26,27)
InChIKeyIQLAPNNGZXAPIV-UHFFFAOYSA-N
MW404.99 g/mol
LogP4.12
Rot. Bonds10

About 5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine

5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine (PubChem CID 90677863) has the molecular formula C21H33ClN6 and a molecular weight of 404.99 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine
PubChem CID90677863
Molecular FormulaC21H33ClN6
Molecular Weight404.99 g/mol
Exact Mass404.25
IUPAC Name5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H33ClN6/c1-5-28(6-2)13-7-8-14(3)25-15(4)19-18(20(23)27-21(24)26-19)16-9-11-17(22)12-10-16/h9-12,14-15,25H,5-8,13H2,1-4H3,(H4,23,24,26,27)
InChIKeyIQLAPNNGZXAPIV-UHFFFAOYSA-N
XLogP4.12
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.99
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine (CID 90677863) is 5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine is CCN(CC)CCCC(C)NC(C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine?
The InChIKey is IQLAPNNGZXAPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN6/c1-5-28(6-2)13-7-8-14(3)25-15(4)19-18(20(23)27-21(24)26-19)16-9-11-17(22)12-10-16/h9-12,14-15,25H,5-8,13H2,1-4H3,(H4,23,24,26,27).
What are the key properties of 5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine?
5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine has a molecular weight of 404.99 g/mol, XLogP of 4.12, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 90677863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).