5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine

C19H33N5 — CID 56869141

IUPAC5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCC(C)C1CN(Cc2cnc(N(C)C)nc2)CCCN1CC1CC1
InChIInChI=1S/C19H33N5/c1-15(2)18-14-23(8-5-9-24(18)13-16-6-7-16)12-17-10-20-19(21-11-17)22(3)4/h10-11,15-16,18H,5-9,12-14H2,1-4H3
InChIKeyIBTCIGJEOJFVGF-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.48
Rot. Bonds6

About 5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine

5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 56869141) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID56869141
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCC(C)C1CN(Cc2cnc(N(C)C)nc2)CCCN1CC1CC1
InChIInChI=1S/C19H33N5/c1-15(2)18-14-23(8-5-9-24(18)13-16-6-7-16)12-17-10-20-19(21-11-17)22(3)4/h10-11,15-16,18H,5-9,12-14H2,1-4H3
InChIKeyIBTCIGJEOJFVGF-UHFFFAOYSA-N
XLogP2.48
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine (CID 56869141) is 5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine is CC(C)C1CN(Cc2cnc(N(C)C)nc2)CCCN1CC1CC1.
What is the InChIKey of 5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is IBTCIGJEOJFVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-15(2)18-14-23(8-5-9-24(18)13-16-6-7-16)12-17-10-20-19(21-11-17)22(3)4/h10-11,15-16,18H,5-9,12-14H2,1-4H3.
What are the key properties of 5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 331.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 56869141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).