4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

C24H30N6O2 — CID 159381159

IUPAC4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1[nH]c2c(-c3cc(CN)ccc3OCC3CC3)ncnc2c1C(=O)NC1CCNCC1
InChIInChI=1S/C24H30N6O2/c1-14-20(24(31)30-17-6-8-26-9-7-17)22-23(29-14)21(27-13-28-22)18-10-16(11-25)4-5-19(18)32-12-15-2-3-15/h4-5,10,13,15,17,26,29H,2-3,6-9,11-12,25H2,1H3,(H,30,31)
InChIKeyLKXRAMAKXCUWHV-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.66
Rot. Bonds7

About 4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 159381159) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID159381159
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1[nH]c2c(-c3cc(CN)ccc3OCC3CC3)ncnc2c1C(=O)NC1CCNCC1
InChIInChI=1S/C24H30N6O2/c1-14-20(24(31)30-17-6-8-26-9-7-17)22-23(29-14)21(27-13-28-22)18-10-16(11-25)4-5-19(18)32-12-15-2-3-15/h4-5,10,13,15,17,26,29H,2-3,6-9,11-12,25H2,1H3,(H,30,31)
InChIKeyLKXRAMAKXCUWHV-UHFFFAOYSA-N
XLogP2.66
TPSA117.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 159381159) is 4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is Cc1[nH]c2c(-c3cc(CN)ccc3OCC3CC3)ncnc2c1C(=O)NC1CCNCC1.
What is the InChIKey of 4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is LKXRAMAKXCUWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-14-20(24(31)30-17-6-8-26-9-7-17)22-23(29-14)21(27-13-28-22)18-10-16(11-25)4-5-19(18)32-12-15-2-3-15/h4-5,10,13,15,17,26,29H,2-3,6-9,11-12,25H2,1H3,(H,30,31).
What are the key properties of 4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.66, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-(cyclopropylmethoxy)phenyl]-6-methyl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 159381159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).