N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide

C18H25N5O — CID 25182918

IUPACN-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1
InChIInChI=1S/C18H25N5O/c1-3-9-23(10-4-2)17-11-16(20-13-21-17)18(24)22-15-7-5-14(12-19)6-8-15/h5-8,11,13H,3-4,9-10,12,19H2,1-2H3,(H,22,24)
InChIKeyASABERGMBUSINI-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.81
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide

N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide (PubChem CID 25182918) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide
PubChem CID25182918
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1
InChIInChI=1S/C18H25N5O/c1-3-9-23(10-4-2)17-11-16(20-13-21-17)18(24)22-15-7-5-14(12-19)6-8-15/h5-8,11,13H,3-4,9-10,12,19H2,1-2H3,(H,22,24)
InChIKeyASABERGMBUSINI-UHFFFAOYSA-N
XLogP2.81
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide (CID 25182918) is N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide?
The InChIKey is ASABERGMBUSINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-9-23(10-4-2)17-11-16(20-13-21-17)18(24)22-15-7-5-14(12-19)6-8-15/h5-8,11,13H,3-4,9-10,12,19H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide?
N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).