5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine

C15H27N5 — CID 66904707

IUPAC5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1nc(N)ncc1CC1CCCCC1
InChIInChI=1S/C15H27N5/c1-20(2)9-8-17-14-13(11-18-15(16)19-14)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H3,16,17,18,19)
InChIKeyRBMBAUVGVYZKMA-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.16
Rot. Bonds6

About 5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine

5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (PubChem CID 66904707) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
PubChem CID66904707
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1nc(N)ncc1CC1CCCCC1
InChIInChI=1S/C15H27N5/c1-20(2)9-8-17-14-13(11-18-15(16)19-14)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H3,16,17,18,19)
InChIKeyRBMBAUVGVYZKMA-UHFFFAOYSA-N
XLogP2.16
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (CID 66904707) is 5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is CN(C)CCNc1nc(N)ncc1CC1CCCCC1.
What is the InChIKey of 5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The InChIKey is RBMBAUVGVYZKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-20(2)9-8-17-14-13(11-18-15(16)19-14)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 66904707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).