N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine

C8H11Cl2N3 — CID 53385528

IUPACN-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Cl)nc1Cl
InChIInChI=1S/C8H11Cl2N3/c1-5(2)11-3-6-4-12-8(10)13-7(6)9/h4-5,11H,3H2,1-2H3
InChIKeyNVAHMXACMSTMRU-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.28
Rot. Bonds3

About N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine

N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine (PubChem CID 53385528) has the molecular formula C8H11Cl2N3 and a molecular weight of 220.10 g/mol. Its IUPAC name is N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine
PubChem CID53385528
Molecular FormulaC8H11Cl2N3
Molecular Weight220.10 g/mol
Exact Mass219.03
IUPAC NameN-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Cl)nc1Cl
InChIInChI=1S/C8H11Cl2N3/c1-5(2)11-3-6-4-12-8(10)13-7(6)9/h4-5,11H,3H2,1-2H3
InChIKeyNVAHMXACMSTMRU-UHFFFAOYSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine
CID 53385527
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
2,4-dichloro-5-(2-fluoroethyl)pyrimidine
CID 83854274
N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206828
N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
CID 63321476
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 114864751
N-[[5-chloro-2-(3,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928496
N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine
CID 118943869
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-2-amine
CID 83189037
N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295659

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine (CID 53385528) is N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine is CC(C)NCc1cnc(Cl)nc1Cl.
What is the InChIKey of N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine?
The InChIKey is NVAHMXACMSTMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3/c1-5(2)11-3-6-4-12-8(10)13-7(6)9/h4-5,11H,3H2,1-2H3.
What are the key properties of N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine?
N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine has a molecular weight of 220.10 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 53385528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).