5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine

C11H17BrN4 — CID 80820735

IUPAC5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(CC1CC1)c1nc(N)ncc1Br
InChIInChI=1S/C11H17BrN4/c1-7(2)16(6-8-3-4-8)10-9(12)5-14-11(13)15-10/h5,7-8H,3-4,6H2,1-2H3,(H2,13,14,15)
InChIKeyYKSNEKRXEITEEF-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.45
Rot. Bonds4

About 5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine

5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 80820735) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID80820735
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(CC1CC1)c1nc(N)ncc1Br
InChIInChI=1S/C11H17BrN4/c1-7(2)16(6-8-3-4-8)10-9(12)5-14-11(13)15-10/h5,7-8H,3-4,6H2,1-2H3,(H2,13,14,15)
InChIKeyYKSNEKRXEITEEF-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 80820735) is 5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)N(CC1CC1)c1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is YKSNEKRXEITEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-7(2)16(6-8-3-4-8)10-9(12)5-14-11(13)15-10/h5,7-8H,3-4,6H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 285.19 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80820735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).